N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-cyclopropylacetamide

C19H17FN4O — CID 90054625

IUPACN-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-cyclopropylacetamide
SMILESNc1ncnc2ccc(-c3cc(F)cc(NC(=O)CC4CC4)c3)cc12
InChIInChI=1S/C19H17FN4O/c20-14-6-13(7-15(9-14)24-18(25)5-11-1-2-11)12-3-4-17-16(8-12)19(21)23-10-22-17/h3-4,6-11H,1-2,5H2,(H,24,25)(H2,21,22,23)
InChIKeyVHNLCWLQMAIBKF-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.76
Rot. Bonds4

About N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-cyclopropylacetamide

N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-cyclopropylacetamide (PubChem CID 90054625) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-cyclopropylacetamide
PubChem CID90054625
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-cyclopropylacetamide
SMILESNc1ncnc2ccc(-c3cc(F)cc(NC(=O)CC4CC4)c3)cc12
InChIInChI=1S/C19H17FN4O/c20-14-6-13(7-15(9-14)24-18(25)5-11-1-2-11)12-3-4-17-16(8-12)19(21)23-10-22-17/h3-4,6-11H,1-2,5H2,(H,24,25)(H2,21,22,23)
InChIKeyVHNLCWLQMAIBKF-UHFFFAOYSA-N
XLogP3.76
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-cyclopropylacetamide?
The IUPAC name of N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-cyclopropylacetamide (CID 90054625) is N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-cyclopropylacetamide.
What is the SMILES notation for N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-cyclopropylacetamide?
The canonical SMILES for N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-cyclopropylacetamide is Nc1ncnc2ccc(-c3cc(F)cc(NC(=O)CC4CC4)c3)cc12.
What is the InChIKey of N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-cyclopropylacetamide?
The InChIKey is VHNLCWLQMAIBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-14-6-13(7-15(9-14)24-18(25)5-11-1-2-11)12-3-4-17-16(8-12)19(21)23-10-22-17/h3-4,6-11H,1-2,5H2,(H,24,25)(H2,21,22,23).
What are the key properties of N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-cyclopropylacetamide?
N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-cyclopropylacetamide has a molecular weight of 336.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-cyclopropylacetamide is sourced from PubChem (CID 90054625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).